4-[1-methyl-2,6-bis(oxidanylidene)-3-propan-2-yl-purin-7-yl]butyl nitrate

Systemtic Name: 4-[1-methyl-2,6-bis(oxidanylidene)-3-propan-2-yl-purin-7-yl]butyl nitrate Openeye Name: 4-(3-isopropyl-1-methyl-2,6-dioxo-purin-7-yl)butyl nitrate CAS Name: nitric acid 4-(1-methyl-2,6-dioxo-3-propan-2-yl-7-purinyl)butyl ester IUPAC Name: 4-(1-methyl-2,6-dioxo-3-propan-2-ylpurin-7-yl)butyl nitrate Traditional Name: nitric acid 4-(3-isopropyl-2,6-diketo-1-methyl-purin-7-yl)butyl ester Formula: C13H19N5O5 MolecularWeight: 325.32046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O5/c1-9(2)17-11-10(12(19)15(3)13(17)20)16(8-14-11)6-4-5-7-23-18(21)22/h8-9H,4-7H2,1-3H3